| sc::ShellPairCints(3) | MPQC | sc::ShellPairCints(3) |
sc::ShellPairCints - ShellPairCints provides all primitive pair data for a given shell pair.
#include <shellpairs.h>
Inherits sc::SavableState.
ShellPairCints (Ref< PrimPairsCints >
&)
ShellPairCints (StateIn &)
void save_data_state (StateOut &)
Save the base classes (with save_data_state) and the members in the same order
that the StateIn CTOR initializes them. void init (const int,
const int)
prim_pair_t * prim_pair (int p1, int p2) const
double prim_pair_P (int p1, int p2, int xyz) const
double prim_pair_gamma (int p1, int p2) const
double prim_pair_ovlp (int p1, int p2) const
void init_shell_pair (ShellPairsCints &)
ShellPairCints provides all primitive pair data for a given shell pair.
Save the base classes (with save_data_state) and the members in the same order that the StateIn CTOR initializes them. This must be implemented by the derived class if the class has data.
Reimplemented from sc::SavableState.
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| Sun Oct 4 2020 | Version 2.3.1 |